CC and CS descriptions of phase-sensitive cross sections: computations for He+HCl
- 1. Depts. of Chem. and Physics, Univ. of Houston Central Campus, TX 77004
Description
Detailed CC (coupled-cluster) and CS (coupled states or centrifugal sudden) calculation, for the He + HC1 system, of a wide variety of cross sections which are sensitive to the phase of the differential scattering amplitude are reported. The CS approximation gives a valid description of the scattering at a remarkably detailed level, although accuracy is not uniform for the various types of cross sections. Exact CC results show a strong propensity for j /su z/ preservation along the geometric or kineamatic apse. These results strongly indicate that the CS approximation provides a basically correct physical description of the He + HC1 collision system, and that its accuracy for detailed cross sections is not just the result of fortuitous cancelation of errors
Additional details
Publishing Information
- Publisher
- Plenum.
- Imprint Place
- New York, NY
- Imprint Title
- Potential energy surface and dynamics calculations
- Journal Page Range
- p. 717-736.
Conference
- Title
- 180. American Chemical Society meeting/2. chemical congress of the North American Continent.
- Dates
- 24 - 29 Aug 1980.
- Place
- Las Vegas, NV (USA).
INIS
- Country of Publication
- United States
- Country of Input or Organization
- United States
- INIS RN
- 14736311
- Subject category
- S37: INORGANIC, ORGANIC, PHYSICAL AND ANALYTICAL CHEMISTRY;
- Resource subtype / Literary indicator
- Conference
- Descriptors DEI
- CHEMICAL REACTIONS; CROSS SECTIONS; HELIUM; HYDROCHLORIC ACID; POTENTIAL ENERGY; SCATTERING
- Descriptors DEC
- CHLORINE COMPOUNDS; ELEMENTS; ENERGY; HALOGEN COMPOUNDS; HYDROGEN COMPOUNDS; INORGANIC ACIDS; NONMETALS; RARE GASES